BAS 13776524
TL;DR: BAS 13776524 (CAS 878441-87-3) is a chemical compound with molecular formula C18H14N4O2S and molecular weight 350.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzodioxol-5-yl)-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene
Also Known As: BAS 13776524, A4050/0172728, 2-(1,3-benzodioxol-5-yl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine, 2-(benzo[d][1,3]dioxol-5-yl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
| Molecular Formula | C18H14N4O2S |
|---|---|
| Molecular Weight | 350.08 g/mol |
| LogP | 3.6135 |
| Topological Polar Surface Area | 61.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 350.08374 |
| Heavy Atoms | 25 |
| Complexity | 1147.0992 |
Chemical Identifiers
| CAS Number | 878441-87-3 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=CN4C3=NC(=N4)C5=CC6=C(C=C5)OCO6 |
Product Overview
BAS 13776524 (CAS 878441-87-3), with molecular formula C18H14N4O2S and molecular weight 350.08 g/mol. IUPAC: 4-(1,3-benzodioxol-5-yl)-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene.
Chemical Property Profile of BAS 13776524
Property Insights of BAS 13776524
The XLogP value of 3.6135 indicates that BAS 13776524 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.54 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13776524. Following Lipinski's Rule of Five, BAS 13776524 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 13776524?
The CAS number of BAS 13776524 is 878441-87-3.
What is the molecular formula of BAS 13776524?
The molecular formula of BAS 13776524 is C18H14N4O2S.
What is the molecular weight of BAS 13776524?
The molecular weight of BAS 13776524 is 350.08 g/mol.
Where can I buy BAS 13776524?
You can request a quote for BAS 13776524 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13776524?
Yes, KEHONG BIO provides custom synthesis services for BAS 13776524 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.